Fapbi3 Cif File -

| Donor | Acceptor | D⋯A (Å) | H⋯A (Å) | D‑H⋯A (°) | |-------|----------|----------|--------|-----------| | O1‑H1 | N2 | 2.85 | 1.98 | 165 | | … | … | … | … | … |

Your Name – Crystallography Analyst Date: 18 April 2026 fapbi3 cif file

The DFT bandgap is calculated as 1.2 eV (instead of ~1.48 eV). The density of states (DOS) shows incorrect Pb-s and I-p hybridization. | Donor | Acceptor | D⋯A (Å) |

– Bond lengths and angles are within normal ranges for the functional groups present (e.g., C=O ≈ 1.23 Å, C–C aromatic ≈ 1.39 Å). The slightly elongated C–N bond (1.36 Å) suggests partial double‑bond character, consistent with resonance in the imidazole ring. C=O ≈ 1.23 Å